Klaus Braagaard Møller

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 1994 2019

139 Downloads (Pure)

Electronic Coherence in Ultrafast X-Ray Scattering from Molecular Wave Packets

Simmermacher, M., Henriksen, N. E., Møller, K. B., Moreno Carrascosa, A. & Kirrander, A., 2019, In : Physical Review Letters. 122, 7, 6 p., 073003.

Research output: Contribution to journal › Journal article › Research › peer-review

Open Access

File

Excited state dynamics initiated by an electromagnetic field within the Variational Multi-Configurational Gaussian (vMCG) method

Penfold, T. J., Pápai, M., Møller, K. B. & Worth, G. A., 2019, In : Computational and Theoretical Chemistry. 1160, p. 24-30 7 p.

Research output: Contribution to journal › Journal article › Research › peer-review

Excited-state solvation structure of transition metal complexes from molecular dynamics simulations and assessment of partial atomic charge methods

Abedi, M., Levi, G., Zederkof, D. B., Henriksen, N. E., Pápai, M. & Møller, K. B., 2019, In : Physical Chemistry Chemical Physics. 21, 7, p. 4082-4095 14 p.

Research output: Contribution to journal › Journal article › Research › peer-review

61 Downloads (Pure)

Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy

Kjær, K. S., Van Driel, T. B., Harlang, T. C. B., Kunnus, K., Biasin, E., Ledbetter, K., Hartsock, R. W., Reinhard, M. E., Koroidov, S., Li, L., Laursen, M. G., Hansen, F. B., Vester, P., Christensen, M., Haldrup, K., Nielsen, M. M., Dohn, A. O., Pápai, M. I., Møller, K. B., Chabera, P. & 20 others, Liu, Y., Tatsuno, H., Timm, C., Jarenmark, M., Uhlig, J., Sundstöm, V., Wärnmark, K., Persson, P., Németh, Z., Szemes, D. S., Bajnóczi, É., Vankó, G., Alonso-Mori, R., Glownia, J. M., Nelson, S., Sikorski, M., Sokaras, D., Canton, S. E., Lemke, H. T. & Gaffney, K. J., 2019, In : Chemical Science. 10, 22, p. 5749-5760 12 p.

Research output: Contribution to journal › Journal article › Research › peer-review

Open Access

File

Hot branching dynamics in a light-harvesting iron carbene complex revealed by ultrafast x-ray emission spectroscopy

Tatsuno, H., Kjær, K. S., Kunnus, K., Harlang, T. C. B., Timm, C., Guo, M., Chabera, P., Fredin, L. A., Hartsock, R. J., Reinhard, M. E., Koroidov, S., Li, L., Cordones, A. A., Gordivska, O., Prakash, O., Liu, Y., Laursen, M. G., Biasin, E., Hansen, F. B., Vester, P. & 22 others, Christensen, M., Haldrup, K., Németh, Z., Sárosiné Szemes, D., Bajnóczi, É., Vankó, G., van Driel, T., Alonso-Mori, R., Glownia, J. M., Nelson, S., Sikorski, M., Lemke, H. T., Sokaras, D., Canton, S. E., Dohn, A. O., Møller, K. B., Nielsen, M. M., Gaffney, K. J., Wärnmark, K., Sundström, V., Persson, P. & Uhlig, J., 2019, (Accepted/In press) In : Angewandte Chemie International Edition.

Research output: Contribution to journal › Journal article › Research › peer-review